4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole

C15H19N3O3 — CID 56935415

IUPAC4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
SMILESCOc1ccc(OCc2cn(CC3CCCO3)nn2)cc1
InChIInChI=1S/C15H19N3O3/c1-19-13-4-6-14(7-5-13)21-11-12-9-18(17-16-12)10-15-3-2-8-20-15/h4-7,9,15H,2-3,8,10-11H2,1H3
InChIKeyADZVXJMKKOWLIM-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.04
Rot. Bonds6

About 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole

4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole (PubChem CID 56935415) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
PubChem CID56935415
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
SMILESCOc1ccc(OCc2cn(CC3CCCO3)nn2)cc1
InChIInChI=1S/C15H19N3O3/c1-19-13-4-6-14(7-5-13)21-11-12-9-18(17-16-12)10-15-3-2-8-20-15/h4-7,9,15H,2-3,8,10-11H2,1H3
InChIKeyADZVXJMKKOWLIM-UHFFFAOYSA-N
XLogP2.04
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
2-[[4-[[4-(1-hydroxyethyl)phenoxy]methyl]triazol-1-yl]methyl]oxan-4-ol
CID 144539082
4-(2-bromoethyl)-1-(oxan-2-ylmethyl)triazole
CID 62395835
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110210647
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
3-[1-(oxan-2-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220963
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
4-[1-(oxan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 113424709
3-[1-(oxolan-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460718
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 100830453

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole (CID 56935415) is 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole is COc1ccc(OCc2cn(CC3CCCO3)nn2)cc1.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole?
The InChIKey is ADZVXJMKKOWLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-13-4-6-14(7-5-13)21-11-12-9-18(17-16-12)10-15-3-2-8-20-15/h4-7,9,15H,2-3,8,10-11H2,1H3.
What are the key properties of 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole?
4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole has a molecular weight of 289.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole is sourced from PubChem (CID 56935415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).